N-Desmethyldanofloxacin
TL;DR: N-Desmethyldanofloxacin (CAS 108461-04-7) is a chemical compound with molecular formula C18H18FN3O3 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-7-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: N-Desmethyldanofloxacin, 1-Cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid, 1-Cyclopropyl-7-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-cyclopropyl-7-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-7-[(1s)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C18H18FN3O3 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 1.7242 |
| Topological Polar Surface Area | 74.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.1332 |
| Heavy Atoms | 25 |
| Complexity | 966.1731 |
Chemical Identifiers
| CAS Number | 108461-04-7 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5C[C@H]4CN5)F)C(=O)O |
Product Overview
N-Desmethyldanofloxacin (CAS 108461-04-7), with molecular formula C18H18FN3O3 and molecular weight 343.13 g/mol. IUPAC: 1-cyclopropyl-7-[(1S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of N-Desmethyldanofloxacin
Property Insights of N-Desmethyldanofloxacin
The XLogP value of 1.7242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyldanofloxacin. The TPSA of 74.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyldanofloxacin. Following Lipinski's Rule of Five, N-Desmethyldanofloxacin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Desmethyldanofloxacin?
The CAS number of N-Desmethyldanofloxacin is 108461-04-7.
What is the molecular formula of N-Desmethyldanofloxacin?
The molecular formula of N-Desmethyldanofloxacin is C18H18FN3O3.
What is the molecular weight of N-Desmethyldanofloxacin?
The molecular weight of N-Desmethyldanofloxacin is 343.13 g/mol.
Where can I buy N-Desmethyldanofloxacin?
You can request a quote for N-Desmethyldanofloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyldanofloxacin?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyldanofloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.